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2-Trifluoromethoxyphenol

2-Trifluoromethoxyphenol structure

CAS No:
32858-93-8
Formula:
C7H5F3O2
Chemical Name:
2-Trifluoromethoxyphenol
Synonyms:
2-HYDROXYPHENYL TRIFLUOROMETHYL ETHER;2-(TRIFLUOROMETHOXY)PHENOL;O-TRIFLUOROMETHOXY PHENOL;m-Hydroxytrifluoromethoxybenzene;TRIFLUORMETHOXYPHENOL;2-(Trifluoromethoxy)phenol 98%;2-(Trifluoromethoxy)phenol98%;2-hydroxytrifluoromethoxybenzene
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-Trifluoromethoxyphenol Basic Attributes

Molecular Weight：

178.11

Exact Mass：

178.02416388

EC Number：

642-553-6

DSSTox ID：

DTXSID70380462

HScode：

2909500000

Characteristics

PSA：

29.46000

XLogP3：

2.29080

Appearance：

Liquid

Density：

1,332 g/cm3

Boiling Point：

69-71°C 60mm

Flash Point：

81ºC

Refractive Index：

1.443

PKA：

8.22±0.30

Safety Information

Packing level：

III

Hazard category：

IRRITANT

Transport codes：

2927

hazard class code：

10-20/21/22-34-43-36-25-36/38

safety instructions：

26-36/37/39-45-36/37

Marks：

Xi,T

GHS Classification：

|Warning|H226 (14.29%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:178.11
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:178.02416388
Monoisotopic Mass:178.02416388
Topological Polar Surface Area:29.5
Heavy Atom Count:12
Complexity:146
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 32858-93-8

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